AromaDb: A Database of Plant's Aroma Molecules

Amyl caprylate Details

: IUPAC Name
n-Amyloctanoate
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
fruity

Physical and Chemical properties

PUBCHEM ID61185
Molecular Weight (mg/mol)214.351
Molecular FormulaC14H18O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
IUPAC Namen-Amyloctanoate
Canonical SMILESCCCCCCCC(=O)OCCCCC
PUBCHEM IUPAC INCHIKEYHMKKIXGYKWDQSV-KAMYIIQDSA-N
Solubility Level2
Vapour Pressure-2.636

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA38.79
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.753
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD508.65691
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 Amyl caprylate

Compound Image


2D Structure

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